3-[(4-ethoxycarbonylphenoxy)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[(4-ethoxycarbonylphenoxy)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(4-ethoxycarbonylphenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(4-ethoxycarbonylphenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[(4-ethoxycarbonylphenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[(4-carbethoxyphenoxy)methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H17NO6S MolecularWeight: 363.38498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC2=C(N3C(CC3=O)SC2)C(=O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC2=C(N3C(CC3=O)SC2)C(=O)O

InChI

InChI=1S/C17H17NO6S/c1-2-23-17(22)10-3-5-12(6-4-10)24-8-11-9-25-14-7-13(19)18(14)15(11)16(20)21/h3-6,14H,2,7-9H2,1H3,(H,20,21)